SCHEMBL4893147

SCHEMBL4893147

Nc1nc(N)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2n1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.66
ADORA3 P0DMS8 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
HPGD P15428 2/20 0.52
THRB P10828 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ACHE P22303 11/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CDC7 O00311 1/20 0.47
DBF4 Q9UBU7 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
LIMK1 P53667 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4903351 0.87 CDC7 (0.64) MAPTADORA3ADORA2AADORA1HPGD
SCHEMBL4899933 0.84 MAPT (0.63) MAPTHPGDSMN1; SMN2ACHEKMT2A
SCHEMBL4899997 0.84 MAPT (0.50) MAPTADORA3ADORA2AADORA1HPGD
SCHEMBL4903159 0.80 MAPT (1.00) MAPTADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL4903289 0.79 MAPT (0.74) MAPTADORA3ADORA2AADORA1HPGD
SCHEMBL4892520 0.74 LIMK1 (0.72) MAPTADORA3ADORA2AADORA1HPGD
SCHEMBL4899965 0.73 CDC7 (0.58) MAPTHPGDACHEKMT2AMEN1
SCHEMBL4901029 0.73 HPGD (0.60) MAPTADORA2AADORA1HPGDSMN1; SMN2
SCHEMBL18537633 0.72 KMT2A (0.60) MAPTADORA3ADORA2AADORA1HPGD
SCHEMBL14955051 0.72 KMT2A (0.76) MAPTHPGDTHRBSMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses CYWIN CHARLES L 2008-01-10 US disclosed
US-7291733-B2 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20050101601-A1 Substituted tricyclic heterocycles and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050101601-A1 Substituted tricyclic heterocycles and their uses LTC4S, NQO1, CBR3 MAPT 4573/4885ADORA3 525/4885ADORA2A 284/4885
US-20080008720-A1 Substituted Tricyclic Heterocycles and their Uses LTC4S, NQO1, CBR3 MAPT 4573/4885ADORA3 525/4885ADORA2A 284/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.